Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 11/20 | 0.39 |
| ▸ | MAPT | P10636 | 7/20 | 0.39 |
| ▸ | HPGD | P15428 | 5/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.39 |
| ▸ | NPC1 | O15118 | 3/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 6/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.38 |
| ▸ | ALOX12 | P18054 | 2/20 | 0.38 |
| ▸ | GAA | P10253 | 2/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 2/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.38 |
| ▸ | DUSP3 | P51452 | 1/20 | 0.38 |
| ▸ | PTPN5 | P54829 | 1/20 | 0.38 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.38 |
| ▸ | TLR2 | O60603 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 2/20 | 0.34 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL4548482 | 1.00 | ALDH1A1 (0.39) | ALDH1A1MAPTHPGDKDM4ENPC1 | |
| SCHEMBL24373045 | 0.81 | ALDH1A1 (0.55) | ALDH1A1MAPTHPGDKDM4ENPC1 | |
| SCHEMBL2646503 | 0.80 | MEN1 (0.38) | ALDH1A1MAPTHPGDKDM4ENPC1 | |
| SCHEMBL4548479 | 0.76 | NOS3 (0.35) | ALDH1A1MAPTHPGDKDM4ENPC1 | |
| SCHEMBL4548485 | 0.76 | PTGER4 (0.33) | ALDH1A1MAPTHPGDKDM4ENPC1 | |
| SCHEMBL7950766 | 0.75 | KDM4E (0.46) | ALDH1A1MAPTHPGDKDM4ENPC1 | |
| SCHEMBL1144125 | 0.72 | SLC6A3 (0.46) | ALDH1A1HPGDKDM4EHSD17B10GAA | |
| SCHEMBL1400009 | 0.72 | SLC6A3 (0.46) | — | |
| SCHEMBL24358918 | 0.71 | NOS3 (0.33) | ALDH1A1MAPTHPGDKDM4EHSD17B10 | |
| SCHEMBL24359051 | 0.71 | NOS3 (0.33) | ALDH1A1MAPTHPGDKDM4EHSD17B10 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20120178750-A1 | Niacin Receptor Agonists, Compositions Containing Such Compounds and Methods of Treatment | MERCK SHARP & DOHME CORP. (US) | 2012-07-12 | — | — | US | disclosed |
| US-20120178750-A1 | Niacin Receptor Agonists, Compositions Containing Such Compounds and Methods of Treatment | MERCK SHARP & DOHME CORP. (US) | 2012-07-12 | — | — | US | disclosed |
| US-8168649-B2 | Niacin receptor agonists, compositions containing such compounds and methods of treatment | Merk Sharp & Dohme Corp. (US) | 2012-05-01 | — | — | US | disclosed |
| US-8168649-B2 | Niacin receptor agonists, compositions containing such compounds and methods of treatment | Merk Sharp & Dohme Corp. (US) | 2012-05-01 | — | — | US | disclosed |
| US-20100144778-A1 | Niacin Receptor Agonists, Compositions Containing Such Compounds and Methods of Treatment | MERCK SHARP & DOHME LLC | 2010-06-10 | — | — | US | disclosed |
| US-20100144778-A1 | Niacin Receptor Agonists, Compositions Containing Such Compounds and Methods of Treatment | MERCK SHARP & DOHME LLC | 2010-06-10 | — | — | US | disclosed |
| WO-2007002557-A1 | NIACIN RECEPTOR AGONISTS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT | MERCK & CO., INC. (US) | 2007-01-04 | — | — | WO | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20100144778-A1 | Niacin Receptor Agonists, Compositions Containing Such Compounds and Methods of Treatment | HCAR1, HCAR2, GPR119 | ALDH1A1 1145/4885MAPT 2721/4885HPGD 149/4885 |
| US-20120178750-A1 | Niacin Receptor Agonists, Compositions Containing Such Compounds and Methods of Treatment | HCAR1, HCAR2, FFAR1 | ALDH1A1 1106/4885MAPT 2701/4885HPGD 159/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.